#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b96 h LEU 2 N 0.00 0.54 -1.14 0.00 5.85 -1.29 -0.40 115.31 118.87 2b96 h LEU 2 Ca 0.00 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2b96 h LEU 2 Cb 0.00 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2b96 h LEU 2 CO 0.00 0.15 0.58 -0.50 -0.34 0.00 0.00 178.44 178.33 2b96 h TRP 3 N 0.58 1.09 -0.12 1.25 -0.00 -1.98 -1.50 115.95 115.27 2b96 h TRP 3 Ca 0.54 0.03 -0.20 0.00 -0.00 0.00 0.00 58.89 59.26 2b96 h TRP 3 Cb 0.91 -0.37 0.00 0.00 -0.00 0.00 0.00 29.16 29.70 2b96 h TRP 3 CO -0.08 0.67 -0.74 1.96 -0.00 0.00 0.00 178.44 180.25 2b96 h GLN 4 N 1.16 0.58 -0.85 0.49 7.50 -1.50 -2.50 115.11 119.99 2b96 h GLN 4 Ca 0.34 -0.47 -0.02 0.00 0.50 0.00 0.00 58.65 58.99 2b96 h GLN 4 Cb -0.07 0.10 -0.04 0.00 0.05 0.00 0.00 27.48 27.51 2b96 h GLN 4 CO -0.08 1.09 0.45 0.35 -1.50 0.00 0.00 178.83 179.13 2b96 h PHE 5 N 0.40 1.19 -0.20 2.96 3.57 -0.98 0.64 116.94 124.51 2b96 h PHE 5 Ca -0.04 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2b96 h PHE 5 Cb 1.34 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2b96 h PHE 5 CO 0.06 0.84 0.13 -0.97 -2.23 0.00 0.00 178.31 176.14 2b96 h ASN 6 N 1.20 0.24 -0.66 0.41 -1.24 -1.21 -1.95 115.58 112.37 2b96 h ASN 6 Ca 0.30 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 2b96 h ASN 6 Cb 0.06 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 2b96 h ASN 6 CO -0.04 0.19 0.39 1.23 -1.29 0.00 0.00 177.43 177.91 2b96 h GLY 7 N 0.26 0.97 0.98 1.57 0.00 -0.93 -2.22 103.07 103.69 2b96 h GLY 7 Ca 0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2b96 h GLY 7 CO -0.01 0.39 0.18 -0.33 0.00 0.00 0.00 176.54 176.76 2b96 h MET 8 N 0.92 0.79 -0.71 4.80 2.86 -0.44 -1.44 114.93 121.72 2b96 h MET 8 Ca 0.24 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 2b96 h MET 8 Cb -0.02 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2b96 h MET 8 CO -0.04 0.72 0.22 0.82 1.06 0.00 0.00 176.91 179.69 2b96 h ILE 9 N 0.70 1.26 0.00 -1.22 2.04 -1.02 -1.88 117.51 117.39 2b96 h ILE 9 Ca 0.17 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 2b96 h ILE 9 Cb 0.25 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2b96 h ILE 9 CO -0.01 0.35 -0.20 0.11 0.00 0.00 0.00 178.15 178.40 2b96 h LYS 10 N 1.04 0.00 -0.71 2.37 1.57 -1.17 0.33 116.57 120.01 2b96 h LYS 10 Ca 0.23 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2b96 h LYS 10 Cb 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2b96 h LYS 10 CO -0.01 0.20 0.21 0.00 -0.57 0.00 0.00 179.45 179.29 2b96 h LYS 12 N 1.05 0.00 -2.81 0.00 1.79 -1.11 -3.41 116.57 112.09 2b96 h LYS 12 Ca 0.23 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 58.09 2b96 h LYS 12 Cb 0.30 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.55 2b96 h LYS 12 CO -0.01 0.42 -0.73 0.42 -1.08 0.00 0.00 179.45 178.48 2b96 s ILE 13 N -2.74 1.89 0.62 1.86 1.01 0.11 -4.96 121.20 118.99 2b96 s ILE 13 Ca -0.04 -3.62 0.29 0.00 0.00 0.00 0.00 60.65 57.29 2b96 s ILE 13 Cb 0.08 -2.25 0.35 0.00 0.01 0.00 0.00 42.46 40.65 2b96 s ILE 13 CO 0.82 -1.09 1.95 -0.65 0.00 0.00 0.00 174.94 175.96 2b96 h PRO 14 N 5.52 0.00 -0.11 2.79 0.11 -1.70 -2.17 132.00 136.43 2b96 h PRO 14 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2b96 h PRO 14 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2b96 h PRO 14 CO 0.58 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 2b96 n SER 15 N -3.39 2.01 -4.78 -2.05 3.41 -1.26 -4.96 113.62 102.60 2b96 n SER 15 Ca 0.03 -1.71 -0.26 0.00 -0.26 0.00 0.00 58.87 56.67 2b96 n SER 15 Cb 0.49 -0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2b96 n SER 15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2b96 s SER 16 N -1.79 5.43 -0.61 4.04 0.15 -0.82 -5.05 113.70 115.06 2b96 s SER 16 Ca 0.35 -0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.84 2b96 s SER 16 Cb 0.20 -1.39 0.15 0.00 -1.71 0.00 0.00 66.02 63.27 2b96 s SER 16 CO 0.30 0.06 0.39 -1.61 1.20 0.00 0.00 173.24 173.59 2b96 s GLU 17 N -3.14 2.33 0.24 5.44 0.41 -1.26 -4.81 118.70 117.92 2b96 s GLU 17 Ca 0.31 -2.78 -0.14 0.00 -0.41 0.00 0.00 54.97 51.95 2b96 s GLU 17 Cb -0.10 -3.51 0.31 0.00 -1.78 0.00 0.00 34.13 29.06 2b96 s GLU 17 CO 0.23 -1.17 1.57 -1.35 -0.49 0.00 0.00 175.26 174.05 2b96 h PRO 18 N 6.42 -0.02 -0.01 0.39 0.11 -1.94 -0.54 132.00 136.41 2b96 h PRO 18 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2b96 h PRO 18 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2b96 h PRO 18 CO 0.71 -0.01 0.04 -0.07 -0.21 0.00 0.00 178.00 178.46 2b96 h LEU 19 N -0.02 0.00 0.02 2.35 -0.00 -1.95 0.12 115.31 115.83 2b96 h LEU 19 Ca 0.38 0.00 -0.39 0.00 -0.00 0.00 0.00 57.88 57.87 2b96 h LEU 19 Cb 0.63 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.24 2b96 h LEU 19 CO -0.94 0.00 -2.25 0.18 -0.00 0.00 0.00 178.44 175.43 2b96 n LEU 20 N -3.18 2.37 -0.03 1.67 4.77 -0.34 -3.89 117.00 118.37 2b96 n LEU 20 Ca -0.03 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.97 2b96 n LEU 20 Cb 0.11 -0.92 -0.08 0.00 -2.33 0.00 0.00 43.42 40.20 2b96 n LEU 20 CO 0.20 0.69 0.37 0.44 -1.33 0.00 0.00 177.39 177.76 2b96 h ASP 21 N -0.52 0.61 0.00 -1.43 3.32 -0.92 -3.38 116.42 114.10 2b96 h ASP 21 Ca -0.57 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 55.84 2b96 h ASP 21 Cb 1.72 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 41.09 2b96 h ASP 21 CO -0.21 1.15 -1.25 0.49 -1.72 0.00 0.00 179.24 177.70 2b96 n PHE 22 N -4.24 0.00 -2.60 4.55 3.72 0.39 -4.92 117.46 114.37 2b96 n PHE 22 Ca -0.08 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.94 2b96 n PHE 22 Cb 0.60 -0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 38.95 2b96 n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2b96 s ASN 23 N -3.36 7.18 -0.87 4.37 2.47 -1.21 -3.95 114.94 119.58 2b96 s ASN 23 Ca 0.03 2.07 -0.05 0.00 0.42 0.00 0.00 52.86 55.33 2b96 s ASN 23 Cb 0.15 -2.60 -0.01 0.00 -1.45 0.00 0.00 41.25 37.34 2b96 s ASN 23 CO 0.85 -0.19 0.71 -3.20 -3.72 0.00 0.00 177.10 171.55 2b96 n ASN 24 N 0.73 -6.42 -3.90 -4.21 5.15 -0.32 -4.75 115.26 101.54 2b96 n ASN 24 Ca 0.01 -0.56 -0.19 0.00 -0.60 0.00 0.00 54.58 53.25 2b96 n ASN 24 Cb 0.48 -3.93 -0.16 0.00 -0.53 0.00 0.00 39.78 35.64 2b96 n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2b96 s TYR 25 N -3.12 0.66 0.00 1.20 6.14 -0.21 -0.46 117.35 121.55 2b96 s TYR 25 Ca 0.13 -0.16 0.00 0.00 0.64 0.00 0.00 57.07 57.69 2b96 s TYR 25 Cb -0.04 -0.56 0.00 0.00 0.42 0.00 0.00 41.96 41.78 2b96 s TYR 25 CO 0.81 -0.14 0.00 0.41 0.64 0.00 0.00 175.55 177.27 2b96 n GLY 26 N 3.79 0.94 0.01 8.97 0.00 -0.15 -2.01 105.19 116.74 2b96 n GLY 26 Ca -0.23 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.24 2b96 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b96 n TYR 28 N -1.71 0.00 -2.52 0.00 4.02 -1.25 -3.15 117.16 112.55 2b96 n TYR 28 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 2b96 n TYR 28 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.69 2b96 n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2b96 n GLY 30 N 5.19 2.90 3.69 0.00 0.00 -1.26 -1.04 105.19 114.66 2b96 n GLY 30 Ca 0.08 -1.86 -0.45 0.00 0.00 0.00 0.00 46.02 43.80 2b96 n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2b96 n LEU 31 N 0.00 3.37 0.00 0.99 0.00 -1.26 -4.66 117.00 115.44 2b96 n LEU 31 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 56.01 57.11 2b96 n LEU 31 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 43.42 41.95 2b96 n LEU 31 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 177.39 177.79 2b96 n GLY 32 N 3.11 -2.22 0.00 -3.96 0.00 -1.26 -5.07 105.19 95.79 2b96 n GLY 32 Ca 0.15 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2b96 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b96 n GLY 33 N -0.39 3.98 3.83 -0.02 0.00 -1.26 -4.67 105.19 106.66 2b96 n GLY 33 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 2b96 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b96 s SER 34 N 0.00 -0.14 0.00 1.61 1.04 -1.19 -4.98 113.70 110.04 2b96 s SER 34 Ca 0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2b96 s SER 34 Cb 0.00 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2b96 s SER 34 CO 0.00 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.38 2b96 n GLY 35 N -0.50 -2.06 3.70 7.32 0.00 -1.26 -4.77 105.19 107.63 2b96 n GLY 35 Ca -0.06 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 2b96 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b96 s THR 36 N -0.04 5.07 0.33 2.61 2.01 -1.26 -5.02 115.64 119.34 2b96 s THR 36 Ca 0.00 1.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.99 2b96 s THR 36 Cb 0.00 -3.97 -0.12 0.00 0.01 0.00 0.00 72.50 68.42 2b96 s THR 36 CO 0.00 0.23 1.28 -2.65 -0.69 0.00 0.00 174.62 172.79 2b96 n PRO 37 N 4.09 2.06 0.13 4.92 -0.02 -1.26 -4.86 135.00 140.06 2b96 n PRO 37 Ca -0.03 0.72 0.01 0.00 -2.02 0.00 0.00 63.50 62.18 2b96 n PRO 37 Cb 0.51 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2b96 n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2b96 h VAL 38 N 2.55 1.07 -2.80 -1.45 -1.51 -1.95 -3.48 116.25 108.67 2b96 h VAL 38 Ca -0.45 -2.44 -0.04 0.00 -1.23 0.00 0.00 66.70 62.53 2b96 h VAL 38 Cb 1.29 2.48 -0.00 0.00 -2.13 0.00 0.00 31.29 32.93 2b96 h VAL 38 CO 0.63 0.60 0.16 -0.90 -1.23 0.00 0.00 177.57 176.83 2b96 n ASP 39 N -3.29 -1.55 0.09 4.19 5.68 -1.26 -5.02 116.55 115.39 2b96 n ASP 39 Ca 0.01 -2.16 0.02 0.00 -0.50 0.00 0.00 54.79 52.16 2b96 n ASP 39 Cb 0.76 2.61 0.38 0.00 -1.14 0.00 0.00 41.12 43.73 2b96 n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2b96 h ASP 40 N 1.41 0.30 -0.42 -1.12 3.32 -1.93 -1.21 116.42 116.77 2b96 h ASP 40 Ca -0.23 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.68 2b96 h ASP 40 Cb 0.87 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2b96 h ASP 40 CO 0.30 0.41 -0.07 0.25 -1.72 0.00 0.00 179.24 178.41 2b96 h LEU 41 N 0.31 0.79 -1.33 1.55 5.85 -1.94 -1.28 115.31 119.26 2b96 h LEU 41 Ca 0.07 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 2b96 h LEU 41 Cb 0.32 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2b96 h LEU 41 CO 0.01 0.95 0.11 -0.78 -0.34 0.00 0.00 178.44 178.40 2b96 h ASP 42 N 0.61 0.52 0.20 1.25 3.58 -1.80 -0.71 116.42 120.07 2b96 h ASP 42 Ca 0.11 -0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 2b96 h ASP 42 Cb 0.59 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2b96 h ASP 42 CO 0.04 0.51 -0.37 -0.09 -2.88 0.00 0.00 179.24 176.45 2b96 h ARG 43 N 0.56 0.24 -0.79 0.28 2.43 -0.72 -0.73 114.38 115.64 2b96 h ARG 43 Ca 0.13 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2b96 h ARG 43 Cb 0.18 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 2b96 h ARG 43 CO -0.01 0.58 0.49 0.00 -1.51 0.00 0.00 179.97 179.53 2b96 h GLN 46 N 0.45 0.52 -0.81 0.00 4.15 -0.54 0.13 115.11 119.01 2b96 h GLN 46 Ca 0.05 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2b96 h GLN 46 Cb 0.84 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 2b96 h GLN 46 CO 0.07 0.42 0.36 1.15 -1.93 0.00 0.00 178.83 178.90 2b96 h THR 47 N 0.47 1.26 -0.58 2.39 2.02 -1.12 -1.18 112.91 116.17 2b96 h THR 47 Ca 0.13 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 2b96 h THR 47 Cb 0.06 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 2b96 h THR 47 CO -0.02 0.32 0.18 -0.74 0.37 0.00 0.00 175.52 175.63 2b96 h HIS 48 N 1.17 0.93 -0.57 3.16 -0.00 -0.84 -0.57 115.15 118.42 2b96 h HIS 48 Ca 0.27 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.37 60.55 2b96 h HIS 48 Cb 0.17 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 2b96 h HIS 48 CO 0.02 0.77 0.36 -0.44 -0.00 0.00 0.00 177.93 178.64 2b96 h ASP 49 N 0.81 0.68 -0.50 3.26 5.19 -0.30 -1.11 116.42 124.45 2b96 h ASP 49 Ca 0.19 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.49 2b96 h ASP 49 Cb 0.28 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 2b96 h ASP 49 CO -0.01 0.52 0.08 0.78 -3.12 0.00 0.00 179.24 177.50 2b96 h ASN 50 N 0.77 0.84 -0.71 6.45 2.35 -0.91 -1.14 115.58 123.24 2b96 h ASN 50 Ca 0.21 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 2b96 h ASN 50 Cb -0.04 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 2b96 h ASN 50 CO -0.04 0.85 0.21 0.00 -1.65 0.00 0.00 177.43 176.80 2b96 h TYR 52 N 1.05 1.04 -0.76 0.00 -1.99 -0.87 -1.39 116.97 114.04 2b96 h TYR 52 Ca 0.23 -0.22 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 2b96 h TYR 52 Cb 0.33 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.77 2b96 h TYR 52 CO 0.03 1.00 0.35 0.52 -0.00 0.00 0.00 178.16 180.05 2b96 h MET 53 N 0.82 1.10 -0.57 4.88 2.86 -0.78 -2.16 114.93 121.08 2b96 h MET 53 Ca 0.12 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 2b96 h MET 53 Cb 0.68 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2b96 h MET 53 CO 0.05 0.87 0.04 0.37 1.06 0.00 0.00 176.91 179.30 2b96 h GLN 54 N 1.07 0.95 -0.43 1.72 5.75 -0.95 -3.02 115.11 120.21 2b96 h GLN 54 Ca 0.26 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2b96 h GLN 54 Cb 0.14 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2b96 h GLN 54 CO -0.03 0.92 0.27 0.00 -2.65 0.00 0.00 178.83 177.33 2b96 h ALA 55 N 1.15 0.55 0.00 3.38 0.00 -0.74 -1.88 119.26 121.72 2b96 h ALA 55 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2b96 h ALA 55 Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2b96 h ALA 55 CO 0.02 0.03 0.00 0.52 0.00 0.00 0.00 179.25 179.82 2b96 h MET 56 N 0.57 0.00 0.00 0.00 2.86 -1.28 -1.12 114.93 115.97 2b96 h MET 56 Ca 0.16 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2b96 h MET 56 Cb -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2b96 h MET 56 CO -0.03 0.00 -0.63 0.87 1.06 0.00 0.00 176.91 178.18 2b96 h LYS 57 N 0.00 0.00 -6.87 1.72 1.57 -1.31 -3.41 116.57 108.27 2b96 h LYS 57 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2b96 h LYS 57 Cb 0.04 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.44 2b96 h LYS 57 CO 0.00 0.12 0.76 -0.51 -0.57 0.00 0.00 179.45 179.26 2b96 s LEU 58 N -5.90 4.36 0.26 2.94 1.43 -0.43 -4.90 118.68 116.45 2b96 s LEU 58 Ca 0.03 2.88 -0.03 0.00 -1.03 0.00 0.00 54.13 55.97 2b96 s LEU 58 Cb 0.07 -3.65 0.38 0.00 0.03 0.00 0.00 46.19 43.02 2b96 s LEU 58 CO 0.74 -0.77 1.89 0.44 0.23 0.00 0.00 176.35 178.89 2b96 h ASP 59 N 3.80 1.07 0.01 2.29 3.32 -1.90 -1.55 116.42 123.45 2b96 h ASP 59 Ca -0.49 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 2b96 h ASP 59 Cb 1.23 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 2b96 h ASP 59 CO 0.70 0.70 -0.11 0.28 -1.72 0.00 0.00 179.24 179.09 2b96 h SER 60 N 1.22 0.21 1.08 6.45 0.02 -1.93 -2.71 113.55 117.89 2b96 h SER 60 Ca 0.42 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 61.14 2b96 h SER 60 Cb 0.10 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2b96 h SER 60 CO -0.15 0.35 -0.94 0.00 -1.14 0.00 0.00 176.83 174.95 2b96 n LYS 62 N -3.28 0.15 0.00 0.00 5.02 -0.75 -2.14 118.16 117.16 2b96 n LYS 62 Ca -0.01 0.31 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 2b96 n LYS 62 Cb 0.89 -1.75 0.43 0.00 -0.02 0.00 0.00 35.03 34.57 2b96 n LYS 62 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2b96 n VAL 63 N -2.04 0.00 -4.13 -0.18 0.24 -1.19 -4.84 118.33 106.19 2b96 n VAL 63 Ca 0.03 -0.09 -0.34 0.00 -2.04 0.00 0.00 64.34 61.91 2b96 n VAL 63 Cb 0.27 0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.77 2b96 n VAL 63 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2b96 s LEU 64 N -2.59 3.90 0.20 1.34 1.43 -0.91 -5.00 118.68 117.04 2b96 s LEU 64 Ca 0.23 0.20 0.11 0.00 -1.03 0.00 0.00 54.13 53.64 2b96 s LEU 64 Cb 0.19 -2.14 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 2b96 s LEU 64 CO 0.54 0.32 1.35 1.62 0.23 0.00 0.00 176.35 180.40 2b96 h VAL 65 N 3.55 1.28 -4.20 -1.59 3.04 -1.88 -3.46 116.25 112.98 2b96 h VAL 65 Ca -0.50 -2.81 -0.51 0.00 -1.01 0.00 0.00 66.70 61.86 2b96 h VAL 65 Cb 1.19 2.63 0.12 0.00 -2.01 0.00 0.00 31.29 33.22 2b96 h VAL 65 CO 0.60 0.73 0.37 -1.81 -1.01 0.00 0.00 177.57 176.45 2b96 s ASP 66 N -6.57 4.82 0.49 3.17 1.01 -1.26 -5.07 116.67 113.26 2b96 s ASP 66 Ca 0.02 2.07 0.05 0.00 0.71 0.00 0.00 52.55 55.41 2b96 s ASP 66 Cb 0.09 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.46 2b96 s ASP 66 CO 0.78 -1.83 0.26 0.54 0.21 0.00 0.00 175.17 175.14 2b96 s ASN 67 N -2.50 4.50 0.50 0.27 2.20 -1.26 -4.87 114.94 113.78 2b96 s ASN 67 Ca 0.68 -1.24 0.25 0.00 -0.94 0.00 0.00 52.86 51.61 2b96 s ASN 67 Cb -0.22 0.10 1.32 0.00 -2.00 0.00 0.00 41.25 40.45 2b96 s ASN 67 CO 0.43 -0.86 1.91 -0.65 -2.94 0.00 0.00 177.10 175.00 2b96 h PRO 68 N 1.09 0.14 0.00 3.55 0.11 -1.93 0.97 132.00 135.92 2b96 h PRO 68 Ca -0.40 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 2b96 h PRO 68 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2b96 h PRO 68 CO 0.64 0.09 -0.34 1.88 -0.21 0.00 0.00 178.00 180.06 2b96 h TYR 69 N 0.14 0.00 -0.01 0.65 0.05 -1.95 -3.34 116.97 112.52 2b96 h TYR 69 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.17 2b96 h TYR 69 Cb 1.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.06 2b96 h TYR 69 CO -0.00 0.34 -0.22 0.25 -1.05 0.00 0.00 178.16 177.49 2b96 n THR 70 N -3.23 0.00 -2.70 -2.88 -2.24 -0.53 -1.02 114.28 101.69 2b96 n THR 70 Ca 0.02 -0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 60.98 2b96 n THR 70 Cb 0.64 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.92 2b96 n THR 70 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2b96 s ASN 71 N -1.34 6.46 0.31 3.42 3.84 0.22 -4.81 114.94 123.03 2b96 s ASN 71 Ca 0.07 0.04 -0.28 0.00 0.21 0.00 0.00 52.86 52.90 2b96 s ASN 71 Cb 0.07 -2.50 -0.09 0.00 -0.55 0.00 0.00 41.25 38.17 2b96 s ASN 71 CO 0.24 -1.30 1.09 0.20 -2.79 0.00 0.00 177.10 174.55 2b96 s ASN 72 N 2.72 7.14 0.29 -4.21 0.01 -1.26 0.12 114.94 119.75 2b96 s ASN 72 Ca 0.39 2.24 0.03 0.00 -0.71 0.00 0.00 52.86 54.81 2b96 s ASN 72 Cb -0.09 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 2b96 s ASN 72 CO 0.25 -0.23 0.16 -0.72 -1.51 0.00 0.00 177.10 175.05 2b96 s TYR 73 N -1.26 1.56 -0.08 2.20 -0.85 -1.26 -4.82 117.35 112.84 2b96 s TYR 73 Ca 0.47 -1.39 0.00 0.00 -0.52 0.00 0.00 57.07 55.64 2b96 s TYR 73 Cb -0.30 -0.81 -0.03 0.00 0.38 0.00 0.00 41.96 41.20 2b96 s TYR 73 CO 0.39 -0.56 -0.07 -1.12 -1.52 0.00 0.00 175.55 172.66 2b96 s SER 74 N -3.35 4.59 0.23 -0.18 0.01 -1.26 -4.89 113.70 108.85 2b96 s SER 74 Ca 0.37 -0.07 -0.21 0.00 1.31 0.00 0.00 55.95 57.35 2b96 s SER 74 Cb 0.05 -1.27 0.04 0.00 0.21 0.00 0.00 66.02 65.04 2b96 s SER 74 CO 0.18 0.32 0.65 -0.72 0.41 0.00 0.00 173.24 174.08 2b96 s TYR 75 N -0.55 -0.27 0.08 2.43 1.13 -1.26 -1.90 117.35 117.00 2b96 s TYR 75 Ca 0.08 -0.09 0.02 0.00 -1.41 0.00 0.00 57.07 55.67 2b96 s TYR 75 Cb -0.12 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 2b96 s TYR 75 CO 0.02 -1.07 -0.07 -1.54 -2.51 0.00 0.00 175.55 170.37 2b96 s SER 76 N -2.86 1.05 -0.10 -0.18 1.04 -0.51 -4.95 113.70 107.19 2b96 s SER 76 Ca 0.08 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 55.72 2b96 s SER 76 Cb -0.04 0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 2b96 s SER 76 CO -0.00 -0.36 -0.24 0.00 0.98 0.00 0.00 173.24 173.62 2b96 s SER 78 N 0.28 -0.27 -1.48 0.00 0.15 -0.45 -4.87 113.70 107.07 2b96 s SER 78 Ca -0.17 0.93 -0.11 0.00 0.70 0.00 0.00 55.95 57.30 2b96 s SER 78 Cb -0.17 1.13 0.06 0.00 -1.71 0.00 0.00 66.02 65.33 2b96 s SER 78 CO 0.08 -0.22 0.99 0.59 1.20 0.00 0.00 173.24 175.88 2b96 n ASN 79 N 5.08 -4.60 -2.19 5.45 3.02 -1.26 -1.03 115.26 119.74 2b96 n ASN 79 Ca -0.12 -0.74 -0.21 0.00 -0.03 0.00 0.00 54.58 53.48 2b96 n ASN 79 Cb 0.51 -4.11 -0.03 0.00 -0.61 0.00 0.00 39.78 35.54 2b96 n ASN 79 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2b96 n ASN 80 N -2.89 -5.75 -4.37 6.41 4.13 -1.26 -4.98 115.26 106.55 2b96 n ASN 80 Ca -0.01 0.13 -0.32 0.00 1.68 0.00 0.00 54.58 56.06 2b96 n ASN 80 Cb 0.55 -4.86 -0.15 0.00 -1.54 0.00 0.00 39.78 33.78 2b96 n ASN 80 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2b96 s GLU 81 N -4.70 2.48 -0.15 3.52 2.12 -0.20 -4.59 118.70 117.18 2b96 s GLU 81 Ca 0.00 -0.82 -0.10 0.00 0.36 0.00 0.00 54.97 54.41 2b96 s GLU 81 Cb 0.00 -2.25 -0.05 0.00 0.26 0.00 0.00 34.13 32.09 2b96 s GLU 81 CO 0.00 0.51 0.20 0.42 -0.54 0.00 0.00 175.26 175.84 2b96 s ILE 82 N -0.45 5.38 -0.12 -3.70 1.01 -1.26 -1.33 121.20 120.72 2b96 s ILE 82 Ca 0.05 0.34 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 2b96 s ILE 82 Cb -0.12 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.87 2b96 s ILE 82 CO 0.01 0.49 -0.05 -0.89 0.00 0.00 0.00 174.94 174.50 2b96 s THR 83 N -0.13 0.91 0.01 2.92 2.01 -0.57 -4.99 115.64 115.79 2b96 s THR 83 Ca 0.13 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.54 2b96 s THR 83 Cb -0.12 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 2b96 s THR 83 CO 0.02 0.26 0.90 0.00 -0.69 0.00 0.00 174.62 175.11 2b96 s SER 85 N 0.70 6.85 0.00 0.00 0.15 -0.80 -4.92 113.70 115.69 2b96 s SER 85 Ca 0.47 2.38 0.16 0.00 0.70 0.00 0.00 55.95 59.65 2b96 s SER 85 Cb -0.21 -2.62 0.72 0.00 -1.71 0.00 0.00 66.02 62.20 2b96 s SER 85 CO 0.26 -0.45 1.49 -1.54 1.20 0.00 0.00 173.24 174.19 2b96 n SER 86 N 0.61 0.00 -0.24 5.45 3.41 -1.26 -2.05 113.62 119.54 2b96 n SER 86 Ca 0.02 0.34 0.15 0.00 -0.26 0.00 0.00 58.87 59.11 2b96 n SER 86 Cb 0.45 -0.42 0.70 0.00 -0.26 0.00 0.00 64.21 64.67 2b96 n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2b96 n GLU 87 N -1.42 1.27 -2.57 4.33 1.02 -1.26 -4.82 120.64 117.19 2b96 n GLU 87 Ca 0.05 -0.49 -0.41 0.00 -0.02 0.00 0.00 57.16 56.29 2b96 n GLU 87 Cb 0.16 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 2b96 n GLU 87 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2b96 s ASN 88 N -2.07 7.33 0.84 1.62 0.02 -0.87 -5.01 114.94 116.81 2b96 s ASN 88 Ca 0.40 2.03 -0.13 0.00 -1.02 0.00 0.00 52.86 54.15 2b96 s ASN 88 Cb 0.21 -2.60 0.10 0.00 0.02 0.00 0.00 41.25 38.98 2b96 s ASN 88 CO 0.37 -0.17 1.20 0.20 0.02 0.00 0.00 177.10 178.73 2b96 s ASN 89 N -0.18 4.25 0.17 -1.22 0.02 -1.26 -4.64 114.94 112.09 2b96 s ASN 89 Ca 0.48 0.68 -0.28 0.00 -1.02 0.00 0.00 52.86 52.72 2b96 s ASN 89 Cb -0.28 -1.10 -0.01 0.00 0.02 0.00 0.00 41.25 39.88 2b96 s ASN 89 CO 0.34 -2.05 1.53 0.00 0.02 0.00 0.00 177.10 176.94 2b96 n ALA 90 N -3.40 -0.54 0.23 0.60 0.00 -1.26 -0.80 120.51 115.35 2b96 n ALA 90 Ca 0.09 0.87 -0.15 0.00 0.00 0.00 0.00 53.44 54.25 2b96 n ALA 90 Cb 0.61 -0.20 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 2b96 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b96 h GLU 92 N -0.56 0.31 -0.66 0.00 4.11 -1.87 -2.14 114.58 113.76 2b96 h GLU 92 Ca -0.05 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.25 2b96 h GLU 92 Cb 0.43 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2b96 h GLU 92 CO 0.09 0.33 0.11 0.00 0.07 0.00 0.00 179.01 179.60 2b96 h ALA 93 N 1.71 0.94 -0.19 1.06 0.00 -0.83 0.11 119.26 122.06 2b96 h ALA 93 Ca 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2b96 h ALA 93 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2b96 h ALA 93 CO 0.00 0.66 0.01 0.35 0.00 0.00 0.00 179.25 180.28 2b96 h PHE 94 N 1.02 0.36 -0.81 0.00 3.57 -0.83 -1.89 116.94 118.36 2b96 h PHE 94 Ca 0.20 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 2b96 h PHE 94 Cb 0.43 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2b96 h PHE 94 CO 0.03 0.51 0.40 0.82 -2.23 0.00 0.00 178.31 177.85 2b96 h ILE 95 N 0.11 1.25 -0.65 1.41 2.04 -1.25 -1.12 117.51 119.30 2b96 h ILE 95 Ca 0.06 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.28 2b96 h ILE 95 Cb 0.36 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 2b96 h ILE 95 CO 0.01 0.29 0.39 0.00 0.00 0.00 0.00 178.15 178.84 2b96 h ASN 97 N 0.75 0.68 -0.37 0.00 -1.24 -0.67 0.39 115.58 115.11 2b96 h ASN 97 Ca 0.27 -0.12 0.05 0.00 0.71 0.00 0.00 56.30 57.21 2b96 h ASN 97 Cb 0.08 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 38.91 2b96 h ASN 97 CO -0.13 0.61 0.10 0.00 -1.29 0.00 0.00 177.43 176.72 2b96 h ASP 99 N 0.23 0.62 -0.35 0.00 3.32 -0.90 -2.36 116.42 116.98 2b96 h ASP 99 Ca 0.17 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2b96 h ASP 99 Cb 0.18 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2b96 h ASP 99 CO -0.21 0.72 0.22 -0.09 -1.72 0.00 0.00 179.24 178.17 2b96 h ARG 100 N 0.50 0.44 -0.86 3.56 2.43 -0.62 -0.58 114.38 119.26 2b96 h ARG 100 Ca 0.12 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2b96 h ARG 100 Cb 0.35 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2b96 h ARG 100 CO 0.01 0.29 0.57 -0.91 -1.51 0.00 0.00 179.97 178.42 2b96 h ASN 101 N 0.46 0.97 -0.38 -3.80 2.35 -1.11 -2.08 115.58 111.99 2b96 h ASN 101 Ca 0.13 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 2b96 h ASN 101 Cb -0.04 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 2b96 h ASN 101 CO -0.04 0.70 -0.30 0.00 -1.65 0.00 0.00 177.43 176.14 2b96 h ALA 102 N 1.32 0.69 -0.70 -0.83 0.00 -1.09 -1.13 119.26 117.53 2b96 h ALA 102 Ca 0.32 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2b96 h ALA 102 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2b96 h ALA 102 CO -0.08 0.67 0.39 0.00 0.00 0.00 0.00 179.25 180.23 2b96 h ALA 103 N 0.89 0.89 -0.36 0.00 0.00 -0.80 0.12 119.26 120.01 2b96 h ALA 103 Ca 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2b96 h ALA 103 Cb 0.87 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2b96 h ALA 103 CO 0.08 0.40 -0.11 0.82 0.00 0.00 0.00 179.25 180.43 2b96 h ILE 104 N 0.96 1.28 -0.29 0.00 2.04 -1.29 -2.73 117.51 117.48 2b96 h ILE 104 Ca 0.25 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.95 2b96 h ILE 104 Cb 0.03 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 2b96 h ILE 104 CO -0.04 0.39 0.05 0.00 0.00 0.00 0.00 178.15 178.55 2b96 h PHE 106 N 0.15 1.12 0.00 0.00 0.04 -0.70 -1.64 116.94 115.91 2b96 h PHE 106 Ca 0.13 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.93 2b96 h PHE 106 Cb 0.14 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 37.94 2b96 h PHE 106 CO -0.17 0.49 0.00 -1.13 -0.60 0.00 0.00 178.31 176.89 2b96 n SER 107 N -4.57 0.57 -0.58 2.17 3.41 -0.72 -3.31 113.62 110.58 2b96 n SER 107 Ca 0.17 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.47 2b96 n SER 107 Cb 0.31 -0.74 0.05 0.00 -0.26 0.00 0.00 64.21 63.57 2b96 n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2b96 n LYS 108 N -2.09 1.41 -4.40 4.33 4.76 -0.63 -5.00 118.16 116.54 2b96 n LYS 108 Ca 0.04 -1.31 -0.24 0.00 -2.87 0.00 0.00 58.31 53.92 2b96 n LYS 108 Cb 0.28 -1.30 -0.09 0.00 -1.84 0.00 0.00 35.03 32.08 2b96 n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2b96 s VAL 109 N -1.50 2.81 0.65 -0.18 -7.23 -1.12 -5.10 120.40 108.72 2b96 s VAL 109 Ca 0.18 -2.15 -0.15 0.00 -1.81 0.00 0.00 61.98 58.05 2b96 s VAL 109 Cb 0.14 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.61 2b96 s VAL 109 CO 0.25 -0.33 1.11 -2.84 -0.31 0.00 0.00 175.10 172.99 2b96 s PRO 110 N -3.38 2.83 -0.19 4.82 0.02 -1.26 -4.97 135.00 132.87 2b96 s PRO 110 Ca 0.29 1.41 -0.03 0.00 0.02 0.00 0.00 61.00 62.68 2b96 s PRO 110 Cb -0.06 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 2b96 s PRO 110 CO 0.16 -1.23 -0.05 -0.47 -0.33 0.00 0.00 177.00 175.07 2b96 s TYR 111 N -2.30 2.95 -0.39 6.54 5.04 -1.26 -4.47 117.35 123.46 2b96 s TYR 111 Ca 0.67 -0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 54.53 2b96 s TYR 111 Cb -0.21 -2.04 0.10 0.00 0.35 0.00 0.00 41.96 40.16 2b96 s TYR 111 CO 0.41 -0.39 0.16 -0.80 -1.34 0.00 0.00 175.55 173.58 2b96 s ASN 112 N 1.09 5.15 0.55 4.32 0.01 -1.26 -4.96 114.94 119.84 2b96 s ASN 112 Ca 0.01 -1.94 0.28 0.00 -0.71 0.00 0.00 52.86 50.51 2b96 s ASN 112 Cb -0.15 -1.79 1.46 0.00 0.41 0.00 0.00 41.25 41.18 2b96 s ASN 112 CO -0.00 -0.49 1.95 0.11 -1.51 0.00 0.00 177.10 177.16 2b96 h LYS 113 N 7.99 0.00 -0.39 -0.60 1.57 -1.99 -0.34 116.57 122.81 2b96 h LYS 113 Ca -0.13 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2b96 h LYS 113 Cb 1.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 2b96 h LYS 113 CO 0.65 0.00 0.27 0.93 -0.57 0.00 0.00 179.45 180.74 2b96 h GLU 114 N 0.00 0.14 -0.03 3.15 3.07 -2.05 -1.39 114.58 117.47 2b96 h GLU 114 Ca 0.28 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2b96 h GLU 114 Cb 1.21 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2b96 h GLU 114 CO -0.00 0.09 0.00 0.72 -1.40 0.00 0.00 179.01 178.42 2b96 n HIS 115 N -4.45 0.02 -2.21 4.33 8.25 -0.14 -4.84 115.22 116.18 2b96 n HIS 115 Ca 0.06 -0.01 -0.40 0.00 -0.26 0.00 0.00 57.72 57.11 2b96 n HIS 115 Cb 0.37 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 2b96 n HIS 115 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2b96 s LYS 116 N -1.98 4.29 -1.49 -0.41 -0.14 -0.53 -0.97 119.74 118.51 2b96 s LYS 116 Ca 0.40 2.05 -0.10 0.00 -1.36 0.00 0.00 55.97 56.95 2b96 s LYS 116 Cb 0.20 -2.96 0.07 0.00 -1.68 0.00 0.00 37.83 33.46 2b96 s LYS 116 CO 0.33 -0.18 0.87 0.09 -0.76 0.00 0.00 175.35 175.70 2b96 n ASN 117 N 0.62 -3.57 -4.77 2.83 4.13 0.39 -4.90 115.26 109.99 2b96 n ASN 117 Ca 0.01 -0.82 -0.39 0.00 1.68 0.00 0.00 54.58 55.06 2b96 n ASN 117 Cb 0.44 -3.77 -0.01 0.00 -1.54 0.00 0.00 39.78 34.89 2b96 n ASN 117 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2b96 s LEU 118 N -7.13 4.17 -0.01 3.41 2.96 -1.15 -4.95 118.68 115.98 2b96 s LEU 118 Ca 0.48 2.50 -0.30 0.00 -0.22 0.00 0.00 54.13 56.58 2b96 s LEU 118 Cb -0.24 -4.00 -0.06 0.00 0.50 0.00 0.00 46.19 42.39 2b96 s LEU 118 CO 0.84 -0.81 1.48 -1.81 -1.32 0.00 0.00 176.35 174.73 2b96 s ASP 119 N -0.97 6.78 0.00 3.68 1.01 -1.26 -4.86 116.67 121.04 2b96 s ASP 119 Ca 0.58 2.18 0.02 0.00 0.71 0.00 0.00 52.55 56.04 2b96 s ASP 119 Cb -0.34 -2.55 0.15 0.00 1.01 0.00 0.00 42.92 41.18 2b96 s ASP 119 CO 0.43 -0.79 0.57 0.29 0.21 0.00 0.00 175.17 175.88 2b96 n LYS 120 N 5.80 0.09 0.13 8.23 5.02 -1.26 -1.16 118.16 135.01 2b96 n LYS 120 Ca 0.14 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 2b96 n LYS 120 Cb 0.43 -1.42 0.04 0.00 -0.02 0.00 0.00 35.03 34.06 2b96 n LYS 120 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2b96 h MET 121 N 0.00 0.00 -0.00 1.97 2.86 -2.01 -3.17 114.93 114.58 2b96 h MET 121 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2b96 h MET 121 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2b96 h MET 121 CO 0.00 0.03 -0.02 0.09 1.06 0.00 0.00 176.91 178.08 2b96 n ASN 122 N -2.82 0.18 -0.71 1.22 4.13 -0.31 -5.21 115.26 111.73 2b96 n ASN 122 Ca 0.01 -0.74 0.09 0.00 1.68 0.00 0.00 54.58 55.61 2b96 n ASN 122 Cb 0.57 -0.09 0.07 0.00 -1.54 0.00 0.00 39.78 38.79 2b96 n ASN 122 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54